6-Phenylhexane-1,3-diol | 1040772-99-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 6-Phenylhexane-1,3-diol
• CAS: 1040772-99-3
• 化学式: C₁₂H₁₈O₂
• 分子量: 194.274
• InChiKey: GILWHURLZRDHDZ-UHFFFAOYSA-N

物化性质

• 沸点：
  354.4±35.0 °C(Predicted)
• 密度：
  1.057±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  14
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  [(2S,3S)-3-(3-phenylpropyl)oxiran-2-yl]methanol 在 二异丁基氢化铝 作用下， 以 正己烷 为溶剂， 反应 4.0h， 生成 6-Phenylhexane-1,3-diol 、 (R)-6-phenylhexane-1,2-diol
  参考文献：
  名称：

  Chemoselective Catalytic Oxidation of 1,2-Diols to α-Hydroxy Acids Controlled by TEMPO–ClO₂ Charge-Transfer Complex

  摘要：

  Chemoselective catalytic oxidation from 1,2-diols to a-hydroxy acids in a cat. TEMPO/cat. NaOCl/NaClO2 system has been achieved. The use of a two-phase condition consisting of hydrophobic toluene and water suppresses the concomitant oxidative cleavage. A study of the mechanism suggests that the observed selectivity is derived from the precise solubility: control of diols and hydroxy acids as well as the active species Of TEMPO, Although the oxoammonium species TEMPO+Cl- is hydrophilic, the active species dissolves into the organic layer by the formation of the charge-transfer (CT) complex TEMPO-ClO2 under the reaction conditions.

  DOI：

  10.1021/acs.orglett.5b01003

文献信息

• Oxygen-Directed Intramolecular Hydroboration
  作者：Robert-André F. Rarig、Matthew Scheideman、Edwin Vedejs

  DOI：10.1021/ja800402g

  日期：2008.7.1

  Metal-free homoallylic oxygen-directed intramolecular hydroboration is reported. Regioselectivities from 20:1 to 82:1 favoring the 1,3-dioxy-substituted products have been achieved using Me2S center dot BH3/TfOH followed by standard oxidative workup. Branching at the C5 position improves regioselectivity.
• Glycolipid derivatives, process for production of the same, intermediates for synthesis thereof, and process for production of the intermediates
  申请人：Japan as represented by President of National Center of Neurology and Psychiatry Ministry of Health

  公开号：EP2343306B1

  公开（公告）日：2018-04-04